C797-0305 Screening compound: 1-{1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-N-[3-(piperidin-1-yl)propyl]piperidine-4-carboxamide

C797-0305 Screening compound: 1-{1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-N-[3-(piperidin-1-yl)propyl]piperidine-4-carboxamide
C797-0305 Screening compound: 1-{1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-N-[3-(piperidin-1-yl)propyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-0305
1-{1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-N-[3-(piperidin-1-yl)propyl]piperidine-4-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C797-0305

Molecular Formula

C28H36FN5O (C28 H36 FN5 O)

Compound Name

1-{1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-N-[3-(piperidin-1-yl)propyl]piperidine-4-carboxamide

IUPAC name

1-{1-[(4-fluorophenyl)methyl]-1H-13-benzodiazol-2-yl}-N-[3-(piperidin-1-yl)propyl]piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1c1nc(cccc2)c2n1Cc(cc1)ccc1F)NCCCN1CCCCC1

InChI

InChI=1S/C28H36FN5O/c29-24-11-9-22(10-12-24)21-34-26-8-3-2-7-25(26)31-28(34)33-19-13-23(14-20-33)27(35)30-15-6-18-32-16-4-1-5-17-32/h2-3,7-12,23H,1,4-6,13-21H2,(H,30,35)

InChI Key

YDOGVQYLYYGQNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797991

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.63

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.449

Distribution Coefficient, logD

1.795

Water Solubility, LogSw

-4.07

Polar Surface Area

41.398

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

10.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C797-0305 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

PI3K-Targeted Library (17255 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Proteases

References: we are preparing a list of scientific research reports with C797-0305 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-0305?
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What is the minimum amount of C797-0305 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-0305
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-0305
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C797-0305 available by request